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ethyl 2-{[(2-bromophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID EMXgCKe9vtP
InChI InChI=1S/C20H22BrNO4S/c1-2-25-20(24)18-13-8-4-3-5-11-16(13)27-19(18)22-17(23)12-26-15-10-7-6-9-14(15)21/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,22,23)
InChIKey HTTPDTUFCLSZLX-UHFFFAOYSA-N
Mol Weight 452.36 g/mol
Molecular Formula C20H22BrNO4S
Exact Mass 451.045292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1FnCNTXaM7q
Name ethyl 2-{[(2-bromophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H22BrNO4S/c1-2-25-20(24)18-13-8-4-3-5-11-16(13)27-19(18)22-17(23)12-26-15-10-7-6-9-14(15)21/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,22,23)
InChIKey HTTPDTUFCLSZLX-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2701
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9243322; Labnumber: PNA-NA00225